SCHEMBL7348199

SCHEMBL7348199

Oc1ccc(-c2ccccc2Cc2ccc(OCCN3CCCC3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.65
ESR2 Q92731 7/20 0.65
LTA4H P09960 9/20 0.61
HRH3 Q9Y5N1 1/20 0.59
PSMB1 P20618 1/20 0.58
PSMB5 P28074 1/20 0.58
PSMB2 P49721 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7442242 0.93 LTA4H (0.69) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7444253 0.88 LTA4H (0.61) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7416556 0.88 LTA4H (0.61) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL6964901 0.88 LTA4H (0.61) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7349591 0.88 LTA4H (0.70) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7353997 0.88 LTA4H (0.61) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7574644 0.87 ESR1 (0.67) ESR1ESR2LTA4HHRH3PSMB1
SCHEMBL7440099 0.86 HRH3 (0.59) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7820185 0.86 LTA4H (0.58) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7350306 0.85 LTA4H (0.57) LTA4HHRH3PSMB1PSMB5PSMB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973517-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-24 EP disclosed
EP-0973517-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-01-26 EP disclosed
WO-1998048794-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed